1S51

Thr24Ser Bacteriorhodopsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	44.414, 108.554, 55.818
Unit cell angles	90.00, 113.40, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.21161
Rwork	0.212
R-free	0.27200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1py6
RMSD bond length	0.016
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.118
Number of reflections	32530
<I/σ(I)>	10.2
Completeness [%]	99.3	99.7
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	3.7	37 *	sodium phosphate, hexanediol, pH 3.7, bicelle vapor diffusion hanging drop, temperature 310K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		2.0 (M)	pH3.7
2	1	reservoir	hexanediol	0.048 (M)
3	1	drop	protein/bicelle solution	40 (%(w/v))